Resonances in rotationally inelastic scattering of NH3 and ND3 with H2

被引：37

作者：

Ma, Qianli ^{[1
]}

van der Avoird, Ad ^{[2
]}

Loreau, Jerome ^{[3
]}

Alexander, Millard H. ^{[4
,5
]}

van de Meerakker, Sebastiaan Y. T. ^{[2
]}

Dagdigian, Paul J. ^{[1
]}

机构：

[1] Johns Hopkins Univ, Dept Chem, Baltimore, MD 21218 USA

[2] Radboud Univ Nijmegen, Inst Mol & Mat, NL-6525 AJ Nijmegen, Netherlands

[3] Univ Libre Bruxelles, Serv Chim Quant & Photophys CP 160 09, B-1050 Brussels, Belgium

[4] Univ Maryland, Dept Chem & Biochem, College Pk, MD 20742 USA

[5] Univ Maryland, Inst Phys Sci & Technol, College Pk, MD 20742 USA

来源：

JOURNAL OF CHEMICAL PHYSICS | 2015年 / 143卷 / 04期

基金：

欧洲研究理事会; 美国国家科学基金会;

关键词：

MOLECULAR-BEAM SCATTERING; DEUTERATED AMMONIA; COLLISIONAL EXCITATION; ORBITING RESONANCES; CROSS-SECTIONS; STATE DYNAMICS; ENERGY; ATOMS; SPECTROSCOPY; COMPLEXES;

D O I：

10.1063/1.4927074

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We present theoretical studies on the scattering resonances in rotationally inelastic collisions of NH3 and ND3 molecules with H-2 molecules. We use the quantum close-coupling method to compute state-to-state integral and differential cross sections for the NH3/ND3-H-2 system for collision energies between 5 and 70 cm(-1), using a previously reported potential energy surface [Maret et al., Mon. Not. R. Astron. Soc. 399, 425 (2009)]. We identify the resonances as shape or Feshbach resonances. To analyze these, we use an adiabatic bender model, as well as examination at the scattering wave functions and lifetimes. The strength and width of the resonance peaks suggest that they could be observed in a crossed molecular beam experiment involving a Stark-decelerated NH3 beam. (C) 2015 AIP Publishing LLC.

引用

页数：10

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